6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one

C18H16N2OS — CID 166194455

IUPAC6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCSc1ccccc1
InChIInChI=1S/C18H16N2OS/c21-18-12-11-17(15-7-3-1-4-8-15)19-20(18)13-14-22-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyNZIGHOVXSFYSJH-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.70
Rot. Bonds5

About 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one

6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one (PubChem CID 166194455) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one
PubChem CID166194455
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCSc1ccccc1
InChIInChI=1S/C18H16N2OS/c21-18-12-11-17(15-7-3-1-4-8-15)19-20(18)13-14-22-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyNZIGHOVXSFYSJH-UHFFFAOYSA-N
XLogP3.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one (CID 166194455) is 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CCSc1ccccc1.
What is the InChIKey of 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The InChIKey is NZIGHOVXSFYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-18-12-11-17(15-7-3-1-4-8-15)19-20(18)13-14-22-16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one?
6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one has a molecular weight of 308.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(2-phenylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 166194455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).